tert-butyl 3-(1-amino-3-methylbut-3-enyl)morpholine-4-carboxylate

C14H26N2O3 — CID 103554528

IUPACtert-butyl 3-(1-amino-3-methylbut-3-enyl)morpholine-4-carboxylate
SMILESC=C(C)CC(N)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-10(2)8-11(15)12-9-18-7-6-16(12)13(17)19-14(3,4)5/h11-12H,1,6-9,15H2,2-5H3
InChIKeyCIEMYYLHWHPFOM-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.92
Rot. Bonds3

About tert-butyl 3-(1-amino-3-methylbut-3-enyl)morpholine-4-carboxylate

tert-butyl 3-(1-amino-3-methylbut-3-enyl)morpholine-4-carboxylate (PubChem CID 103554528) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 3-(1-amino-3-methylbut-3-enyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-amino-3-methylbut-3-enyl)morpholine-4-carboxylate
PubChem CID103554528
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 3-(1-amino-3-methylbut-3-enyl)morpholine-4-carboxylate
SMILESC=C(C)CC(N)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-10(2)8-11(15)12-9-18-7-6-16(12)13(17)19-14(3,4)5/h11-12H,1,6-9,15H2,2-5H3
InChIKeyCIEMYYLHWHPFOM-UHFFFAOYSA-N
XLogP1.92
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3R)-3-(6-aminohex-1-en-2-yl)morpholine-4-carboxylate
CID 170020319
Tert-butyl 2-(3-aminopropoxymethyl)piperidine-1-carboxylate
CID 84061641
Tert-butyl 3-(1-aminobut-3-enyl)morpholine-4-carboxylate
CID 103554336
Tert-butyl 3-(1-aminopent-4-enyl)morpholine-4-carboxylate
CID 103554366
Tert-butyl 3-(1-amino-3-methylidenepentyl)morpholine-4-carboxylate
CID 103554370
Tert-butyl 3-(1-aminopentyl)morpholine-4-carboxylate
CID 103554386
Tert-butyl 3-(1-aminoprop-2-enyl)morpholine-4-carboxylate
CID 103554397
Tert-butyl 3-(1-amino-2-methylprop-2-enyl)morpholine-4-carboxylate
CID 103554398
Tert-butyl 3-(1-amino-3-methylbut-2-enyl)morpholine-4-carboxylate
CID 103554455
Tert-butyl 3-(1-amino-4-methylpent-4-enyl)morpholine-4-carboxylate
CID 103554464
Tert-butyl 3-(1-aminobutyl)morpholine-4-carboxylate
CID 103554467
Tert-butyl 3-(1-aminohex-5-enyl)morpholine-4-carboxylate
CID 103554476

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-amino-3-methylbut-3-enyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(1-amino-3-methylbut-3-enyl)morpholine-4-carboxylate (CID 103554528) is tert-butyl 3-(1-amino-3-methylbut-3-enyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-amino-3-methylbut-3-enyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(1-amino-3-methylbut-3-enyl)morpholine-4-carboxylate is C=C(C)CC(N)C1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(1-amino-3-methylbut-3-enyl)morpholine-4-carboxylate?
The InChIKey is CIEMYYLHWHPFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)8-11(15)12-9-18-7-6-16(12)13(17)19-14(3,4)5/h11-12H,1,6-9,15H2,2-5H3.
What are the key properties of tert-butyl 3-(1-amino-3-methylbut-3-enyl)morpholine-4-carboxylate?
tert-butyl 3-(1-amino-3-methylbut-3-enyl)morpholine-4-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-amino-3-methylbut-3-enyl)morpholine-4-carboxylate is sourced from PubChem (CID 103554528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).